[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 5-(4-ethanoylphenyl)furan-2-carboxylate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 5-(4-acetylphenyl)furan-2-carboxylate CAS Name: 5-(4-acetylphenyl)-2-furancarboxylic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 5-(4-acetylphenyl)furan-2-carboxylate Traditional Name: 5-(4-acetylphenyl)furan-2-carboxylic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(=O)OCC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H27NO5/c1-15(27)19-2-4-20(5-3-19)21-6-7-22(31-21)24(29)30-14-23(28)26-25-11-16-8-17(12-25)10-18(9-16)13-25/h2-7,16-18H,8-14H2,1H3,(H,26,28)